N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C25H27N3O2 — CID 100762171

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCCC1=CCCCC1
InChIInChI=1S/C25H27N3O2/c29-23(26-18-17-19-7-3-1-4-8-19)15-16-24-27-25(28-30-24)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h2,5-7,9-14H,1,3-4,8,15-18H2,(H,26,29)
InChIKeyVPJMDHCRAYIVHY-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.34
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100762171) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100762171
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCCC1=CCCCC1
InChIInChI=1S/C25H27N3O2/c29-23(26-18-17-19-7-3-1-4-8-19)15-16-24-27-25(28-30-24)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h2,5-7,9-14H,1,3-4,8,15-18H2,(H,26,29)
InChIKeyVPJMDHCRAYIVHY-UHFFFAOYSA-N
XLogP5.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30133292
N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115074
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83289198

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 100762171) is N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is VPJMDHCRAYIVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-23(26-18-17-19-7-3-1-4-8-19)15-16-24-27-25(28-30-24)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h2,5-7,9-14H,1,3-4,8,15-18H2,(H,26,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 401.51 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100762171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).